UCSF

ZINC52571328

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.66 4.77 -89.49 3 4 2 40 234.384 12
Mid Mid (pH 6-8) 0.66 2.6 -35.31 2 4 1 38 233.376 12

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )